Description

1H-Pyrrolo[2,3-B]Pyridine-3-Carbonitrile, 1-(1,1-Dimethylethyl)-4-(Trifluoromethyl)- is a high-value, multi-functional heterocyclic building block of significant interest in advanced organic synthesis. Its core structure, featuring a pyrrolopyridine scaffold with a nitrile and a trifluoromethyl group, makes it a critical intermediate for constructing complex molecules with tailored properties. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the creation of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, particularly for kinase inhibitors and other small-molecule therapeutics targeting various diseases.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, where the trifluoromethyl group can enhance biological activity and metabolic stability.
• Material Science: Acts as a building block for organic electronic materials, such as ligands for OLEDs or conductive polymers, due to its electron-deficient aromatic system.
• Chemical Biology: Employed in the design and synthesis of molecular probes and tool compounds for studying biological pathways and target engagement.
• Custom Synthesis & Contract Manufacturing: A vital starting material for custom synthesis projects requiring complex, fluorinated nitrogen heterocycles.

Basic Information

Product Name	1H-Pyrrolo[2,3-B]Pyridine-3-Carbonitrile, 1-(1,1-Dimethylethyl)-4-(Trifluoromethyl)-
CAS No.	1146221-86-4
Molecular Formula	C13H12F3N3
Molecular Weight	267.25 g/mol
Synonyms	1-(tert-Butyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile; 1-tert-Butyl-4-(trifluoromethyl)-7-azaindole-3-carbonitrile; 4-(Trifluoromethyl)-1-(tert-butyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile; 1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile; 7-Azaindole-3-carbonitrile, 1-tert-butyl-4-(trifluoromethyl)-; tert-Butyl 4-(trifluoromethyl)-3-cyano-7-azaindole-1-carboxylate (related precursor); CAS 1146221-86-4
EINECS	Contact for details

Quality Control

Every batch of 1H-Pyrrolo[2,3-B]Pyridine-3-Carbonitrile, 1-(1,1-Dimethylethyl)-4-(Trifluoromethyl)- is manufactured under strict quality management systems. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and consistent chemical identity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC/MS)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Assay (NMR)	≥ 95.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.